1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine

C30H32N2O — CID 10646601

IUPAC1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-11-26(12-4-1)30(27-13-5-2-6-14-27)33-23-22-31-18-20-32(21-19-31)24-28-16-9-15-25-10-7-8-17-29(25)28/h1-17,30H,18-24H2
InChIKeyRUFMMZIUYCHXNZ-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.76
Rot. Bonds8

About 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine

1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 10646601) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID10646601
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc(C(OCCN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2O/c1-3-11-26(12-4-1)30(27-13-5-2-6-14-27)33-23-22-31-18-20-32(21-19-31)24-28-16-9-15-25-10-7-8-17-29(25)28/h1-17,30H,18-24H2
InChIKeyRUFMMZIUYCHXNZ-UHFFFAOYSA-N
XLogP5.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
CID 5788723
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylbut-3-en-1-yl)piperazine
CID 24825327
1-(2-Benzylprop-2-en-1-yl)-4-[2-(diphenylmethoxy)ethyl]piperazine
CID 24825331
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine
CID 24825337
4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
1,4-Bis-(2-benzhydryloxy-ethyl)-piperazine
CID 3064081
1-[2-(Benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
CID 11957553
2-Phenyl-4-(2'-trifluoromethyl-biphenyl-4-ylmethyl)-morpholine
CID 16126849
(S)-4''-((2-phenylmorpholino)methyl)biphenyl-2-carbonitrile
CID 23585203
1-(2-Benzhydryloxy-ethyl)-4-(3,4-dihydro-naphthalen-2-ylmethyl)-piperazine
CID 44278597
3-(Naphthalen-1-ylmethoxy)-1-aza-bicyclo[2.2.2]octane
CID 44349009

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine (CID 10646601) is 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine is c1ccc(C(OCCN2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is RUFMMZIUYCHXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-3-11-26(12-4-1)30(27-13-5-2-6-14-27)33-23-22-31-18-20-32(21-19-31)24-28-16-9-15-25-10-7-8-17-29(25)28/h1-17,30H,18-24H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine?
1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 436.60 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 10646601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).